N-(3-aminophenyl)-3,4-dichloro-N-ethylbenzamide

C15H14Cl2N2O — CID 63229996

IUPACN-(3-aminophenyl)-3,4-dichloro-N-ethylbenzamide
SMILESCCN(C(=O)c1ccc(Cl)c(Cl)c1)c1cccc(N)c1
InChIInChI=1S/C15H14Cl2N2O/c1-2-19(12-5-3-4-11(18)9-12)15(20)10-6-7-13(16)14(17)8-10/h3-9H,2,18H2,1H3
InChIKeyMSJPCYXMZVHSPO-UHFFFAOYSA-N
MW309.20 g/mol
LogP4.24
Rot. Bonds3

About N-(3-aminophenyl)-3,4-dichloro-N-ethylbenzamide

N-(3-aminophenyl)-3,4-dichloro-N-ethylbenzamide (PubChem CID 63229996) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is N-(3-aminophenyl)-3,4-dichloro-N-ethylbenzamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-3,4-dichloro-N-ethylbenzamide
PubChem CID63229996
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC NameN-(3-aminophenyl)-3,4-dichloro-N-ethylbenzamide
SMILESCCN(C(=O)c1ccc(Cl)c(Cl)c1)c1cccc(N)c1
InChIInChI=1S/C15H14Cl2N2O/c1-2-19(12-5-3-4-11(18)9-12)15(20)10-6-7-13(16)14(17)8-10/h3-9H,2,18H2,1H3
InChIKeyMSJPCYXMZVHSPO-UHFFFAOYSA-N
XLogP4.24
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminophenyl)-N-ethylbenzamide
CID 63229786
N-(3-aminophenyl)-3-bromo-N-ethyl-4-methylbenzamide
CID 81471443
N-(3-aminophenyl)-4-bromo-3-chloro-N-propylbenzamide
CID 81289017
N-(3-aminophenyl)-3-chloro-4-fluoro-N-propylbenzamide
CID 82872419
1-(3-aminophenyl)-3-(3,4-dichlorophenyl)-1-ethylurea
CID 63229714
N-(3-aminophenyl)-4-cyano-N-ethylbenzamide
CID 63229875
N-(3-aminophenyl)-5-chloro-N-ethylfuran-2-carboxamide
CID 106683233
3,4-dichloro-N-ethyl-N-naphthalen-1-ylbenzamide
CID 54499279
N-(3-aminophenyl)-3,5-dichloro-N-propylbenzamide
CID 63230069
N-(3-aminophenyl)-N-ethyl-1,2-oxazole-3-carboxamide
CID 63229882
N-(3-aminophenyl)-2,5-dichloro-N-propylbenzamide
CID 63229945
N-(3-aminophenyl)-4-chloro-N-ethyl-2-methoxybenzamide
CID 63229751

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-3,4-dichloro-N-ethylbenzamide?
The IUPAC name of N-(3-aminophenyl)-3,4-dichloro-N-ethylbenzamide (CID 63229996) is N-(3-aminophenyl)-3,4-dichloro-N-ethylbenzamide.
What is the SMILES notation for N-(3-aminophenyl)-3,4-dichloro-N-ethylbenzamide?
The canonical SMILES for N-(3-aminophenyl)-3,4-dichloro-N-ethylbenzamide is CCN(C(=O)c1ccc(Cl)c(Cl)c1)c1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-3,4-dichloro-N-ethylbenzamide?
The InChIKey is MSJPCYXMZVHSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c1-2-19(12-5-3-4-11(18)9-12)15(20)10-6-7-13(16)14(17)8-10/h3-9H,2,18H2,1H3.
What are the key properties of N-(3-aminophenyl)-3,4-dichloro-N-ethylbenzamide?
N-(3-aminophenyl)-3,4-dichloro-N-ethylbenzamide has a molecular weight of 309.20 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-3,4-dichloro-N-ethylbenzamide is sourced from PubChem (CID 63229996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).